Geometry & MOs

Info

ID:	235174
PubChem CID:	92304176
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	414.151433
ΔH_f, kcal/mol:	-135.07
Dipole, Da:	7.47
IP(EA), eV:	-9.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-(1-benzyl-2-oxoindol-3-ylidene)amino]-3-(4-ethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC1CCC2(CC1)N([C@@H](CO2)C(=O)NCC3=CC=CC=N3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations