Geometry & MOs

Info

ID:	33382
PubChem CID:	7886189
Reduced:	SO2N3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	414.082033
ΔH_f, kcal/mol:	-11.5
Dipole, Da:	2.76
IP(EA), eV:	-9.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-4-nitrophenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

DOS

IR

Vibrations