Geometry & MOs

Info

ID:	139983
PubChem CID:	52626467
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	391.171834
ΔH_f, kcal/mol:	29.12
Dipole, Da:	6.42
IP(EA), eV:	-8.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-phenyl(thiophen-2-yl)methyl]-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)N[C@@H](C3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations