Geometry & MOs

Info

ID:	353641
PubChem CID:	127285218
Reduced:	O3N6C15H22 (1)
Stoich.:	A3B6C15D22 (1)
Weight, g/mol:	384.198383
ΔH_f, kcal/mol:	-110.81
Dipole, Da:	4.71
IP(EA), eV:	-8.87(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC2=NC3=C(N2C)C(=O)NC(=O)N3C

DOS

IR

Vibrations