Geometry & MOs

Info

ID:	157614
PubChem CID:	56436074
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	439.210721
ΔH_f, kcal/mol:	-128.5
Dipole, Da:	1.97
IP(EA), eV:	-8.87(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(C)(C)C

DOS

IR

Vibrations