Geometry & MOs

Info

ID:	56901
PubChem CID:	22394802
Reduced:	S2N4O5C19H24 (1)
Stoich.:	A2B4C5D19E24 (1)
Weight, g/mol:	450.157306
ΔH_f, kcal/mol:	-111.15
Dipole, Da:	7.04
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-cyano-3,4-dihydroxy-1-phenylheptan-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=CS1)C(=O)NC(CC2=CC=NC=C2)C(C(CCCC#C)O)O

DOS

IR

Vibrations