Geometry & MOs

Info

ID:	157206
PubChem CID:	56422397
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	437.213698
ΔH_f, kcal/mol:	-88.49
Dipole, Da:	10.29
IP(EA), eV:	-9.18(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1H-indol-5-yl)-N-(4-methylpentan-2-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C1=CC2=C(C=C1)NC=C2)C(=O)C3=CC(=CC(=C3)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations