Geometry & MOs

Info

ID:	229982
PubChem CID:	87569785
Reduced:	PSN2O3C10H17 (2)
Stoich.:	ABC2D3E10F17 (2)
Weight, g/mol:	475.073295
ΔH_f, kcal/mol:	-408.99
Dipole, Da:	3.57
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chlorophenyl)methyl]-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C.CC1=CC(=NC(=N1)C(C)C)OP(=S)(O)O

DOS

IR

Vibrations