Geometry & MOs

Info

ID:	331963
PubChem CID:	127250249
Reduced:	ClO2N5H22C24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	413.132174
ΔH_f, kcal/mol:	33.41
Dipole, Da:	5.62
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CN2C(=C(C=N2)C(=O)N3CCOC(C3)C4=NC=C(C=C4)CC5=CC=CC=C5Cl)N=C1

DOS

IR

Vibrations