Geometry & MOs

Info

ID:	38723
PubChem CID:	8137821
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-129.19
Dipole, Da:	0.95
IP(EA), eV:	-8.28(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=CC=C3

DOS

IR

Vibrations