Geometry & MOs

Info

ID:	33731
PubChem CID:	7887803
Reduced:	OSN2C9H12 (2)
Stoich.:	ABC2D9E12 (2)
Weight, g/mol:	401.134403
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	4.5
IP(EA), eV:	-8.49(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC(=O)CSC1=NC(=NC2=C1C3=C(S2)CCCC3)C

DOS

IR

Vibrations