Geometry & MOs

Info

ID:	429440
PubChem CID:	135169489
Reduced:	O4N6C25H40 (1)
Stoich.:	A4B6C25D40 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-176.32
Dipole, Da:	3.46
IP(EA), eV:	-9.39(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[[6-[(3-chloropyridin-4-yl)methoxy]-1,3-benzothiazol-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

Drug info:

PubChemData

Smile

CCC(C(=O)CC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC)NC(=O)CCCCN=C(N)N

DOS

IR

Vibrations