Geometry & MOs

Info

ID:	135318
PubChem CID:	51850809
Reduced:	Cl2N2O2C27H32 (1)
Stoich.:	A2B2C2D27E32 (1)
Weight, g/mol:	516.231034
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	2.32
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S)-2-(N-[2-(2,3-dichlorophenyl)acetyl]anilino)-N-(2,4,4-trimethylpentan-2-yl)hept-3-enamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC1CCCCC1)N(C2=CC=CC=C2)C(=O)CC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations