Geometry & MOs

Info

ID:	36856
PubChem CID:	8013800
Reduced:	OSN4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	382.174001
ΔH_f, kcal/mol:	2.42
Dipole, Da:	5.09
IP(EA), eV:	-8.6(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)/C=N\NC(=S)NCCN2CCOCC2

DOS

IR

Vibrations