Geometry & MOs

Info

ID:	360081
PubChem CID:	127300349
Reduced:	OSN4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	397.214761
ΔH_f, kcal/mol:	-18.05
Dipole, Da:	5.83
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN2CC(CCC2=N1)NC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations