Geometry & MOs

Info

ID:	157508
PubChem CID:	56435330
Reduced:	SN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-80.16
Dipole, Da:	5.72
IP(EA), eV:	-8.67(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC(C1)C(=O)NCC2CC2)SCC3=CC=CC=C3

DOS

IR

Vibrations