Geometry & MOs

Info

ID:	245410
PubChem CID:	99444422
Reduced:	SN3O4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	450.172562
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	3.7
IP(EA), eV:	-8.8(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)C)C3=CC=CO3)C(=O)NCCOC4=CC=CC(=C4)OC

DOS

IR

Vibrations