Geometry & MOs

Info

ID:	161215
PubChem CID:	57391055
Reduced:	NOC20H21 (1)
Stoich.:	ABC20D21 (1)
Weight, g/mol:	315.077658
ΔH_f, kcal/mol:	2.22
Dipole, Da:	1.82
IP(EA), eV:	-8.32(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[(4-hydroxy-3,5-dimethoxybenzoyl)amino]-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

C1CN2CCC1[C@@H](C2)OC3=CC4=C(C=C3)C5=CC=CC=C5C4

DOS

IR

Vibrations