Geometry & MOs

Info

ID:	38594
PubChem CID:	8137165
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	389.00449
ΔH_f, kcal/mol:	-99.22
Dipole, Da:	1.34
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(2-bromophenyl)sulfonylamino]acetyl]amino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)[C@@H](C)OC3=CC=CC=C3

DOS

IR

Vibrations