Geometry & MOs

Info

ID:	63268
PubChem CID:	26750417
Reduced:	FNO5C21H22 (1)
Stoich.:	ABC5D21E22 (1)
Weight, g/mol:	375.204573
ΔH_f, kcal/mol:	-205.14
Dipole, Da:	7.23
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@H](C)OC(=O)/C=C/C2=C(C=CC(=C2)OC)OC)F

DOS

IR

Vibrations