Geometry & MOs

Info

ID:	243802
PubChem CID:	99239706
Reduced:	O3N4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	483.05759
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	4.67
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-bromo-5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=NC3=C2C(=NN3C)C)C(C)C

DOS

IR

Vibrations