Geometry & MOs

Info

ID:	138362
PubChem CID:	52354557
Reduced:	N2O2C10H17 (2)
Stoich.:	A2B2C10D17 (2)
Weight, g/mol:	418.210387
ΔH_f, kcal/mol:	-192.85
Dipole, Da:	5.42
IP(EA), eV:	-9.08(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations