Geometry & MOs

Info

ID:	302236
PubChem CID:	124360828
Reduced:	N2O7C28H28 (1)
Stoich.:	A2B7C28D28 (1)
Weight, g/mol:	404.169585
ΔH_f, kcal/mol:	-242.73
Dipole, Da:	4.16
IP(EA), eV:	-9.12(-1.2)
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-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC3=C(C=C12)C(=CO3)C4=CC=CC=C4)CCC(=O)N[C@@H](C)C(=O)NCCCC(=O)O

DOS

IR

Vibrations