Geometry & MOs

Info

ID:	376684
PubChem CID:	134222707
Reduced:	NO6C26H29 (1)
Stoich.:	AB6C26D29 (1)
Weight, g/mol:	469.165601
ΔH_f, kcal/mol:	-201.21
Dipole, Da:	3.76
IP(EA), eV:	-8.88(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(4-chlorophenyl)-4,5-dihydroxy-3-methoxy-6-[(E)-2-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=C)[C@@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=C(C=C4)O)O)OC)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=C)[C@@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=C(C=C4)O)O)OC)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):