Geometry & MOs

Info

ID:	336635
PubChem CID:	127255642
Reduced:	N2O3C33H46 (1)
Stoich.:	A2B3C33D46 (1)
Weight, g/mol:	363.090518
ΔH_f, kcal/mol:	-90.09
Dipole, Da:	11.56
IP(EA), eV:	-9.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloroanilino)-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanimidamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@@]12CC[C@@]3([C@@H]([C@H]1CC(CC2)(C)C)C(=O)C=C4[C@]3(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)C

DOS

IR

Vibrations