Geometry & MOs

Info

ID:	46538
PubChem CID:	10525083
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	401.183838
ΔH_f, kcal/mol:	-153.84
Dipole, Da:	3.71
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-(3-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

[3H]COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)OC)N(C)C=O)OC)OC

DOS

IR

Vibrations