Geometry & MOs

Info

ID:	43631
PubChem CID:	10321568
Reduced:	O5N7C21H21 (1)
Stoich.:	A5B7C21D21 (1)
Weight, g/mol:	451.174336
ΔH_f, kcal/mol:	-109.81
Dipole, Da:	6.68
IP(EA), eV:	-9.04(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[[6-(1,3-benzoxazole-5-carbonylamino)-2-phenylhexanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C=C(CC(C(=O)O)NC(=O)C1=CC=C(C=C1)CCC2=CN=C3C(=NC(=NC3=N2)N)N)C(=O)O

DOS

IR

Vibrations