Geometry & MOs

Info

ID:	424412
PubChem CID:	135122595
Reduced:	NOP2C15H35 (1)
Stoich.:	ABC2D15E35 (1)
Weight, g/mol:	545.182079
ΔH_f, kcal/mol:	-106.37
Dipole, Da:	1.86
IP(EA), eV:	-8.58(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[carbamothioyl-(2-propan-2-ylphenyl)hydrazinylidene]-N-methyl-N-[2-[N-methyl-4-(trifluoromethoxy)anilino]pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CCP(CC)CCN(CCOC)CCP(CC)CC

DOS

IR

Vibrations