Geometry & MOs

Info

ID:	38174
PubChem CID:	8027714
Reduced:	N3O4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-157.23
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757144
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-imidazol-1-ylpropyl)-2-(2-oxochromen-7-yl)oxypropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)C1CCC(CC1)CN2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations