Geometry & MOs

Info

ID:	147928
PubChem CID:	53787588
Reduced:	S2N6O9H24C28 (1)
Stoich.:	A2B6C9D24E28 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-240.65
Dipole, Da:	4.97
IP(EA), eV:	-9.44(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6,7-dimethoxy-2,2-dimethylchromen-4-yl)amino]thiourea

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C4=NNC(=S)NC4=O)C(=O)OC5C6=CC=CC=C6C(=O)O5)C

DOS

IR

Vibrations