Geometry & MOs

Info

ID:	38273
PubChem CID:	8028823
Reduced:	NSO3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-54.67
Dipole, Da:	2.4
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=CS4)O)C

DOS

IR

Vibrations