Geometry & MOs

Info

ID:	224333
PubChem CID:	85341727
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	3.09
IP(EA), eV:	-9.32(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]pent-4-ynoate

Drug info:

PubChemData

Smile

CC1CCC2C(=CCCC2(C)C(=O)O)C1(C)CCC(=CCOC)C

DOS

IR

Vibrations