Geometry & MOs

Info

ID:	148819
PubChem CID:	53788488
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	269.162708
ΔH_f, kcal/mol:	19.54
Dipole, Da:	3.19
IP(EA), eV:	-8.91(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(cyclohexanecarbonylamino)-2-oxohexanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=NC=C2C(=O)N(C)CC3=CC(=CC(=C3)C)C)SC

DOS

IR

Vibrations