Geometry & MOs

Info

ID:	123321
PubChem CID:	50842228
Reduced:	BrS2N3O4H18C19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-50.21
Dipole, Da:	4.19
IP(EA), eV:	-8.87(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(2,4-dimethylphenyl)carbamoylamino]pyridin-2-yl]-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(S2)/C=C/C3=C(C(=NO3)C)NC(=O)C)Br

DOS

IR

Vibrations