Geometry & MOs

Info

ID:	146690
PubChem CID:	53730875
Reduced:	N3O7C30H35 (1)
Stoich.:	A3B7C30D35 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-189.97
Dipole, Da:	6.21
IP(EA), eV:	-9.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-diethyl-3-[(2-oxo-1-prop-2-enylindol-3-ylidene)amino]thiourea

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC(C(C)C)C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations