Geometry & MOs

Info

ID:	140124
PubChem CID:	52651900
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	444.228717
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	4.8
IP(EA), eV:	-7.61(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[[3-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]benzoyl]amino]phenyl]-ethyl-propan-2-ylazanium

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3CC4=CC=CC=C4O3)C(C)C

DOS

IR

Vibrations