Geometry & MOs

Info

ID:	62941
PubChem CID:	26737726
Reduced:	SO2N4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	-34.77
Dipole, Da:	3.13
IP(EA), eV:	-8.69(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2S)-butan-2-yl]phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC4=C3C(=CC(=N4)C)C

DOS

IR

Vibrations