Geometry & MOs

Info

ID:	356464
PubChem CID:	127291568
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	397.193632
ΔH_f, kcal/mol:	17.15
Dipole, Da:	8.62
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCC4=C(C3)N=C(N4C)C(C)C

DOS

IR

Vibrations