Geometry & MOs

Info

ID:	376675
PubChem CID:	134222698
Reduced:	NO5C26H31 (1)
Stoich.:	AB5C26D31 (1)
Weight, g/mol:	547.220617
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	4.03
IP(EA), eV:	-8.95(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S)-4,5-diacetyloxy-6-[(E)-2-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethenyl]-2-oxo-4-phenyl-1,3-dihydroquinolin-3-yl] acetate

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

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

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

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):