Geometry & MOs

Info

ID:	196406
PubChem CID:	78820381
Reduced:	BrSO2N5H12C18 (1)
Stoich.:	ABC2D5E12F18 (1)
Weight, g/mol:	304.178693
ΔH_f, kcal/mol:	63.49
Dipole, Da:	6.84
IP(EA), eV:	-9.35(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations