Geometry & MOs

Info

ID:	167379
PubChem CID:	74817968
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	923.499083
ΔH_f, kcal/mol:	-33.93
Dipole, Da:	1.41
IP(EA), eV:	-9.04(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[11-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-6,15-dioxo-1-oxa-7-azacyclopentadec-13-yl]oxy]-4-methoxy-2,4-dimethyloxan-3-yl] 3-(4-nitrophenyl)prop-2-enoate

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(C1=CC=C(C=C1)C(C)(C)C)OCC=C

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(C1=CC=C(C=C1)C(C)(C)C)OCC=C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):