Geometry & MOs

Info

ID:	83588
PubChem CID:	49858407
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	412.179835
ΔH_f, kcal/mol:	-88.17
Dipole, Da:	6.95
IP(EA), eV:	-9.17(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(benzylamino)-2-[(S)-(3-fluorophenyl)-(prop-2-enoxycarbonylamino)methyl]but-2-enoate

Drug info:

PubChemData

Smile

CC1(CCCC2(C1(C2)/C=C/C(=O)N3CCN(CC3)C(=O)N)C)C

DOS

IR

Vibrations