Geometry & MOs

Info

ID:	168337
PubChem CID:	74953959
Reduced:	ON5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	433.003023
ΔH_f, kcal/mol:	2.07
Dipole, Da:	2.65
IP(EA), eV:	-8.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6,8-dichloro-2,3-dihydrothiochromen-4-ylidene)amino]-3-[4-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)NC(=O)NC2=CC3=C(C=C2)N=C(C=C3)NC4CCC5=CC=CC=C45

DOS

IR

Vibrations