Geometry & MOs

Info

ID:	128979
PubChem CID:	51064897
Reduced:	OSN2C22H22 (1)
Stoich.:	ABC2D22E22 (1)
Weight, g/mol:	383.115107
ΔH_f, kcal/mol:	29.87
Dipole, Da:	4.25
IP(EA), eV:	-8.48(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfanyl-2-[3-[(4-nitrobenzoyl)amino]propanoylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(S2)C(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations