Geometry & MOs

Info

ID:	187197
PubChem CID:	77543396
Reduced:	BrN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	709.290725
ΔH_f, kcal/mol:	-117.2
Dipole, Da:	4.41
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[[2-(methoxycarbonylamino)-3,3-diphenylpropanoyl]amino]-2-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]octanoate

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C)OC2=CC(=C(C=C2C)Br)OC(C)C(=O)O

DOS

IR

Vibrations