Geometry & MOs

Info

ID:	241004
PubChem CID:	93621089
Reduced:	ClOSN4C16H17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	31.11
Dipole, Da:	5.86
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NN2C(=O)C=C(N=C2S1)CN(C)[C@@H](C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations