Geometry & MOs

Info

ID:	33824
PubChem CID:	7888303
Reduced:	O2S2N4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	52.91
Dipole, Da:	6.04
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CSC2=NC(=NC3=C2C=C(S3)C4=CC=CC=C4)C

DOS

IR

Vibrations