Geometry & MOs

Info

ID:	174817
PubChem CID:	75819412
Reduced:	SN4O4C20H26 (1)
Stoich.:	AB4C4D20E26 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-124.83
Dipole, Da:	5.96
IP(EA), eV:	-8.92(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)NC1=CC=C(C=C1)CC(=O)NCC(=O)OC)C2=CC=CS2

DOS

IR

Vibrations