Geometry & MOs

Info

ID:	164709
PubChem CID:	74442079
Reduced:	SO3N6C20H27 (1)
Stoich.:	AB3C6D20E27 (1)
Weight, g/mol:	443.144967
ΔH_f, kcal/mol:	-60.64
Dipole, Da:	2.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867312
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-methyl-N-[(4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=NC=[N+](C2C(=O)N(C1=O)CCCN(C)CC(=O)NC3=CC=CC=C3SC)C

DOS

IR

Vibrations