Geometry & MOs

Info

ID:	184677
PubChem CID:	77191778
Reduced:	N2C27H42 (1)
Stoich.:	A2B27C42 (1)
Weight, g/mol:	408.149678
ΔH_f, kcal/mol:	-2.65
Dipole, Da:	1.11
IP(EA), eV:	-7.5(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2,5-difluorobenzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4C=CC(=C(C4(C3CC2)C)N5CCCC5)N6CCCC6

DOS

IR

Vibrations