Geometry & MOs

Info

ID:

296745

PubChem CID:

117591300

Reduced:

O9C45H56 (1)

Stoich.:

A9B45C56 (1)

Weight, g/mol:

781.366485

ΔHf, kcal/mol:

-374.18

Dipole, Da:

4.72

IP(EA), eV:

 -8.41(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;[3-[(3-formamido-2-hydroxybenzoyl)amino]-2,6-dimethyl-4,9-dioxo-8-pentyl-1,5-dioxonan-7-yl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC

DOS

IR

Vibrations