Geometry & MOs

Info

ID:	188693
PubChem CID:	77755408
Reduced:	O2N3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	562.222547
ΔH_f, kcal/mol:	-64.6
Dipole, Da:	12.03
IP(EA), eV:	-8.45(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(2-methylprop-2-enylamino)-[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]-4-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

CN1C2CCC(CC2C(=O)N(C1=O)CC3=CC(=C(C=C3)C4=CC=CC=C4)C5NNNN5)C(=O)O

DOS

IR

Vibrations