Geometry & MOs

Info

ID:

80968

PubChem CID:

49854147

Reduced:

SN6O13C31H42 (1)

Stoich.:

AB6C13D31E42 (1)

Weight, g/mol:

433.169622

ΔHf, kcal/mol:

-531.52

Dipole, Da:

8.09

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-N-[8-(diethylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]-4-fluoropyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)S(=O)(=O)N

DOS

IR

Vibrations