Geometry & MOs

Info

ID:	219080
PubChem CID:	85090457
Reduced:	SN6O7C24H32 (1)
Stoich.:	AB6C7D24E32 (1)
Weight, g/mol:	548.27809
ΔH_f, kcal/mol:	-215.66
Dipole, Da:	3.95
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyclopentyl-1-[(7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)amino]-1-oxopropan-2-yl]-4-methylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NC=O)CSC5CC(C=C5)ONC(=O)OC(C)(C)C)C

DOS

IR

Vibrations