Geometry & MOs

Info

ID:	160925
PubChem CID:	57390258
Reduced:	PN3O5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	484.130422
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	10.34
IP(EA), eV:	-9.28(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[4-[4-[(3-nitrophenyl)methoxy]phenyl]phenyl]sulfonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)/C(=N/P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)/CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations