Geometry & MOs

Info

ID:	186020
PubChem CID:	77380582
Reduced:	N2O2C25H30 (1)
Stoich.:	A2B2C25D30 (1)
Weight, g/mol:	521.140276
ΔH_f, kcal/mol:	-50.89
Dipole, Da:	4.36
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-aminobenzenesulfonamide;6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)C4=CC=CC=C4N)CCC5=NC(=O)C=CC35C

DOS

IR

Vibrations