Geometry & MOs

Info

ID:	174432
PubChem CID:	75761576
Reduced:	N2O2C27H38 (1)
Stoich.:	A2B2C27D38 (1)
Weight, g/mol:	534.255229
ΔH_f, kcal/mol:	-92.94
Dipole, Da:	5.79
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(4-methylphenyl)sulfonylmethyl]-2-[N-(2-phenylbutanoyl)anilino]pentanamide

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)C(CC)C2=CC=CC=C2

DOS

IR

Vibrations