Geometry & MOs

Info

ID:	32035
PubChem CID:	4253864
Reduced:	ClN2S2O3H17C20 (1)
Stoich.:	AB2C2D3E17F20 (1)
Weight, g/mol:	373.215413
ΔH_f, kcal/mol:	-55.76
Dipole, Da:	7.38
IP(EA), eV:	-8.93(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-benzylpyrrol-2-yl)methyl]-1-cyclopropyl-3-(2-ethylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

DOS

IR

Vibrations