Geometry & MOs

Info

ID:	289934
PubChem CID:	104388937
Reduced:	SO3N5C11H21 (1)
Stoich.:	AB3C5D11E21 (1)
Weight, g/mol:	291.158292
ΔH_f, kcal/mol:	-108.1
Dipole, Da:	7.57
IP(EA), eV:	-9.26(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-3-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C(C)NS(=O)(=O)C1=CN(N=C1N)C

DOS

IR

Vibrations