Geometry & MOs

Info

ID:	16318
PubChem CID:	464323
Reduced:	SN2O5C31H40 (1)
Stoich.:	AB2C5D31E40 (1)
Weight, g/mol:	552.265794
ΔH_f, kcal/mol:	-182.9
Dipole, Da:	8.53
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2C(C)C)O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations