Geometry & MOs

Info

ID:	242856
PubChem CID:	99213397
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-152.18
Dipole, Da:	2.99
IP(EA), eV:	-8.65(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[3-(4-methylphenyl)sulfanylpropanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CCCOC2=CC=C(C=C2)C

DOS

IR

Vibrations