Geometry & MOs

Info

ID:	218406
PubChem CID:	85089397
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	463.268236
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	6.95
IP(EA), eV:	-8.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-4-[[3-hydroxy-5-(2-methylpropylcarbamoyl)-1-phenylheptan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C)CC1=C2C3C(CN2C4=C1C(=CC(=C4)C5OCCCO5)OCC6=CC=CC=C6)NC(=O)O3

DOS

IR

Vibrations