Geometry & MOs

Info

ID:	171360
PubChem CID:	75366516
Reduced:	O2S3N4C14H16 (1)
Stoich.:	A2B3C4D14E16 (1)
Weight, g/mol:	395.054438
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	4.59
IP(EA), eV:	-9.15(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-4-oxo-4a,7a-dihydro-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2C(S1)N=C(NC2=O)CSCC(=O)NC3=NC=C(S3)C

DOS

IR

Vibrations