Geometry & MOs

Info

ID:	38502
PubChem CID:	8136924
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-109.02
Dipole, Da:	4.46
IP(EA), eV:	-9.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(cyclopropylamino)-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)NCC(=O)NC2CC2

DOS

IR

Vibrations