Geometry & MOs

Info

ID:	157613
PubChem CID:	56436051
Reduced:	BrS2N4O4C16H21 (1)
Stoich.:	AB2C4D4E16F21 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-81.0
Dipole, Da:	5.35
IP(EA), eV:	-9.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations