Geometry & MOs

Info

ID:	139791
PubChem CID:	52596019
Reduced:	O3N5H25C26 (1)
Stoich.:	A3B5C25D26 (1)
Weight, g/mol:	451.204196
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	6.41
IP(EA), eV:	-8.81(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-[3-(phenylcarbamoylamino)phenyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

DOS

IR

Vibrations