Geometry & MOs

Info

ID:	395654
PubChem CID:	135026124
Reduced:	NS2O4H25C27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-62.36
Dipole, Da:	3.0
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(1-ethoxy-2-ethylpent-4-enyl)carbamate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]([C@H]1[C@H]([C@H](C(=O)N1C)OC(=S)SC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations