Geometry & MOs

Info

ID:	179175
PubChem CID:	76446311
Reduced:	SO4N5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	522.101257
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	8.24
IP(EA), eV:	-9.12(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylphenyl]methylideneamino]-3-(2,2-difluoroethyl)urea

Drug info:

PubChemData

Smile

CN(C)CC(=O)NC1=CC2=NC3=C(C=CC(=C3)C4=CC=CC=C4N(C)S(=O)(=O)C)C(=O)N=C2C=C1

DOS

IR

Vibrations