Geometry & MOs

Info

ID:	154803
PubChem CID:	56314328
Reduced:	BrSO3N5H16C18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	415.99426
ΔH_f, kcal/mol:	-0.57
Dipole, Da:	4.44
IP(EA), eV:	-9.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CSCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations