Geometry & MOs

Info

ID:	35892
PubChem CID:	7980454
Reduced:	BrNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	2.13
IP(EA), eV:	-9.15(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC2=CSC(=N2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations