Geometry & MOs

Info

ID:	161571
PubChem CID:	57392023
Reduced:	SN2O7H16C25 (1)
Stoich.:	AB2C7D16E25 (1)
Weight, g/mol:	497.150823
ΔH_f, kcal/mol:	-158.62
Dipole, Da:	7.84
IP(EA), eV:	-9.36(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[4-[(3-methoxycarbonylphenyl)methoxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=O)C(=CO3)C=C4C(=O)NC(=S)NC4=O)C(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations