Geometry & MOs

Info

ID:	60876
PubChem CID:	26702787
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	450.142701
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	3.78
IP(EA), eV:	-8.46(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 3-(3,5-dimethoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)N3CCC[C@H]3C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations