Geometry & MOs

Info

ID:	262080
PubChem CID:	103268592
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	245.14495
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	4.22
IP(EA), eV:	-8.9(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-4-(4-ethylsulfanylbutan-2-ylamino)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1CN(CCC1NC(C(C)C)C(=O)O)C

DOS

IR

Vibrations