Geometry & MOs

Info

ID:	448902
PubChem CID:	135294402
Reduced:	ClSN5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	545.259124
ΔH_f, kcal/mol:	38.12
Dipole, Da:	6.53
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chlorothiophen-2-yl)-3-[2-[2-[5-(cyclopropanecarbonyl)-2-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-1-yl]butyl]pyrrolidin-1-yl]propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1Cl)SC2=NC=C(N=C2N)N3CCC4(CCCC4)CC3

DOS

IR

Vibrations