Geometry & MOs

Info

ID:	75789
PubChem CID:	48423982
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	378.215472
ΔH_f, kcal/mol:	-149.23
Dipole, Da:	2.32
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[[2-(methoxycarbonylamino)-3-phenylpropanoyl]amino]heptanoate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)OC)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations