Geometry & MOs

Info

ID:	38492
PubChem CID:	8136900
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	6.07
IP(EA), eV:	-9.26(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenylpentanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC(=O)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations