Geometry & MOs

Info

ID:	16547
PubChem CID:	472455
Reduced:	SN3O7C26H37 (1)
Stoich.:	AB3C7D26E37 (1)
Weight, g/mol:	535.235222
ΔH_f, kcal/mol:	-283.86
Dipole, Da:	8.78
IP(EA), eV:	-9.25(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 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)OCCOC)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

DOS

IR

Vibrations