Geometry & MOs

Info

ID:	432064
PubChem CID:	135172196
Reduced:	N3O4C22H35 (1)
Stoich.:	A3B4C22D35 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-189.34
Dipole, Da:	3.89
IP(EA), eV:	-8.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(5-carbamoylpyrazin-2-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)OC)C2=C(C=C(C=C2)C(C)CC(=O)OC)N

DOS

IR

Vibrations