Geometry & MOs

Info

ID:	234999
PubChem CID:	92303856
Reduced:	SN2O2C25H30 (1)
Stoich.:	AB2C2D25E30 (1)
Weight, g/mol:	282.113506
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	6.08
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2-chlorobenzoyl)-N'-[(2R)-3-methylbutan-2-yl]carbamimidate

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1N2[C@H](SCC2=O)C3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations