Geometry & MOs

Info

ID:	172178
PubChem CID:	75476368
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	370.152872
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	7.94
IP(EA), eV:	-8.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[(3-methyl-2-nitrobenzoyl)amino]pentanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC(=O)NC3=CC=CC(=C3)CCCO)Cl

DOS

IR

Vibrations