Geometry & MOs

Info

ID:	152103
PubChem CID:	56310960
Reduced:	BrSN2O5C21H25 (1)
Stoich.:	ABC2D5E21F25 (1)
Weight, g/mol:	464.118812
ΔH_f, kcal/mol:	-146.67
Dipole, Da:	5.01
IP(EA), eV:	-7.97(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-methylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)NCC2CCN(C2)C3=CC=CC=C3OC)Br

DOS

IR

Vibrations