Geometry & MOs

Info

ID:	80904
PubChem CID:	49853846
Reduced:	SO2N7C21H29 (1)
Stoich.:	AB2C7D21E29 (1)
Weight, g/mol:	429.194694
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	8.69
IP(EA), eV:	-8.6(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C2CCC3=C(C2=N1)SC(=N3)NC(=O)N4C[C@@H](C[C@H]4C(=O)N)N(C)C

DOS

IR

Vibrations