Geometry & MOs

Info

ID:	223802
PubChem CID:	85335593
Reduced:	Cl2N4O4C29H30 (1)
Stoich.:	A2B4C4D29E30 (1)
Weight, g/mol:	569.137831
ΔH_f, kcal/mol:	-111.5
Dipole, Da:	4.73
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[4-azido-2-[(4-methylsulfanylphenyl)sulfonylmethyl]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2CN(C1=O)C3=CC=C(C=C3)CC(C(=O)OCCN(C)C)NC(=O)C4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations