Geometry & MOs

Info

ID:	302246
PubChem CID:	124360886
Reduced:	SO3N4C29H34 (1)
Stoich.:	AB3C4D29E34 (1)
Weight, g/mol:	430.185235
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	4.11
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylpentanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@H](CCSC)NC(=O)[C@H]1CC2=C([C@@H]3N1C(=O)C4=CC=CC=C34)NC5=CC=CC=C25

DOS

IR

Vibrations