Geometry & MOs

Info

ID:	134478
PubChem CID:	51703537
Reduced:	N4O4C25H30 (1)
Stoich.:	A4B4C25D30 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-100.95
Dipole, Da:	1.98
IP(EA), eV:	-8.01(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4,7-dimethoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC4=C(C=CC(=C4N3)OC)OC

DOS

IR

Vibrations