Geometry & MOs

Info

ID:	81019
PubChem CID:	49854259
Reduced:	SN4O5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	458.221243
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	4.86
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)C2=CC=C(C=C2)OC3=CC(=CC(=C3)C(=O)NC4=NC=CS4)OC(C)COC

DOS

IR

Vibrations