Geometry & MOs

Info

ID:	156051
PubChem CID:	56368930
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	399.231063
ΔH_f, kcal/mol:	-139.24
Dipole, Da:	7.16
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(2-phenylphenyl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C(C)OC3=CC=CC=C3Cl

DOS

IR

Vibrations