Geometry & MOs

Info

ID:	64661
PubChem CID:	29203818
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	496.178041
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	6.01
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)SC2=NN=C(O2)COC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations