Geometry & MOs

Info

ID:	217434
PubChem CID:	85087814
Reduced:	NPO4C19H26 (1)
Stoich.:	ABC4D19E26 (1)
Weight, g/mol:	363.204573
ΔH_f, kcal/mol:	-217.0
Dipole, Da:	4.81
IP(EA), eV:	-8.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C2CCC1(C3C2N(P(=O)(O3)CC(=O)OC)C4=CC=CC=C4)C)C

DOS

IR

Vibrations