Geometry & MOs

Info

ID:	61069
PubChem CID:	26705172
Reduced:	FN3O4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	405.138779
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	10.66
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N[C@H](C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations