Geometry & MOs

Info

ID:	38208
PubChem CID:	8028002
Reduced:	SO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	353.103
ΔH_f, kcal/mol:	-42.21
Dipole, Da:	5.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757215
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(6-chloro-3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)[C@@H]2CC3=CC=CC=C3C[NH2+]2

DOS

IR

Vibrations