Geometry & MOs

Info

ID:	308221
PubChem CID:	125321867
Reduced:	NPO3C25H36 (1)
Stoich.:	ABC3D25E36 (1)
Weight, g/mol:	506.191383
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	3.78
IP(EA), eV:	-8.35(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-(carbamoylamino)-2-[[(2R)-2-(2,4-dioxo-1H-quinazolin-3-yl)-3-(2H-indol-3-yl)propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]([C@@H](C1)O[P@@](=O)(C2=CC=C(C=C2)N(C)C)[C@H](C3=CC=CC=C3)O)C(C)C

DOS

IR

Vibrations