Geometry & MOs

Info

ID:	144259
PubChem CID:	53338961
Reduced:	NOC9H10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	492.204256
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	5.48
IP(EA), eV:	-9.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-4-[[2-(dimethylamino)-2-oxoethyl]-propan-2-ylsulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1O)C(=O)C2=CC=C(C=C2)C#CCCCC#N

DOS

IR

Vibrations