Geometry & MOs

Info

ID:	16560
PubChem CID:	472700
Reduced:	SN2O7C26H36 (1)
Stoich.:	AB2C7D26E36 (1)
Weight, g/mol:	520.224323
ΔH_f, kcal/mol:	-278.83
Dipole, Da:	5.59
IP(EA), eV:	-9.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations