Geometry & MOs

Info

ID:	162013
PubChem CID:	57393333
Reduced:	ClN2O2H19C23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	388.124549
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	4.99
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]-3-phenylthiourea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl

DOS

IR

Vibrations