Geometry & MOs

Info

ID:	192264
PubChem CID:	78250444
Reduced:	NOSH17C18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	491.161184
ΔH_f, kcal/mol:	16.96
Dipole, Da:	1.63
IP(EA), eV:	-8.14(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5,7-dimethyl-9-pentanoyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,6,17-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=C)C2C(=O)C3=CC=CC=C3S2)C

DOS

IR

Vibrations