Geometry & MOs

Info

ID:	302255
PubChem CID:	124360908
Reduced:	SN3O5C22H29 (1)
Stoich.:	AB3C5D22E29 (1)
Weight, g/mol:	450.157306
ΔH_f, kcal/mol:	-217.47
Dipole, Da:	8.32
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)O)NC(=O)CCCCCN1C(=O)[C@H]2CC3=CC=CC=C3CN2C1=O

DOS

IR

Vibrations