Geometry & MOs

Info

ID:	240274
PubChem CID:	93576749
Reduced:	SO2N3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-66.96
Dipole, Da:	6.29
IP(EA), eV:	-8.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-N-[(2R)-3-methylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=C(C=CS2)N)C(=O)N

DOS

IR

Vibrations