Geometry & MOs

Info

ID:	33693
PubChem CID:	7887522
Reduced:	FOS2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	419.112605
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	4.5
IP(EA), eV:	-8.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzhydryl-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)CC3=CC=C(C=C3)F)C

DOS

IR

Vibrations