Geometry & MOs

Info

ID:	178954
PubChem CID:	76407028
Reduced:	O4N5C17H21 (1)
Stoich.:	A4B5C17D21 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	5.06
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-methyl-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC(C1C2=CC3=C(C=C2)OCO3)O)C(=O)C4=CN(N=N4)CCN

DOS

IR

Vibrations