Geometry & MOs

Info

ID:	16546
PubChem CID:	472451
Reduced:	SN3O6C26H35 (1)
Stoich.:	AB3C6D26E35 (1)
Weight, g/mol:	517.224657
ΔH_f, kcal/mol:	-217.31
Dipole, Da:	9.73
IP(EA), eV:	-9.45(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC=C)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations