Geometry & MOs

Info

ID:	38560
PubChem CID:	8137069
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	7.89
IP(EA), eV:	-8.35(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

DOS

IR

Vibrations