Geometry & MOs

Info

ID:	33238
PubChem CID:	7885570
Reduced:	SN4O4H16C17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	397.188923
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	7.17
IP(EA), eV:	-9.09(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)[N+](=O)[O-]

DOS

IR

Vibrations