Geometry & MOs

Info

ID:	56520
PubChem CID:	17436062
Reduced:	ClOSF3N3H13C19 (1)
Stoich.:	ABCD3E3F13G19 (1)
Weight, g/mol:	389.080259
ΔH_f, kcal/mol:	-118.56
Dipole, Da:	6.15
IP(EA), eV:	-9.18(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-[(2,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)SC3=NC=CC=N3

DOS

IR

Vibrations