Geometry & MOs

Info

ID:	440748
PubChem CID:	135231285
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	463.240582
ΔH_f, kcal/mol:	48.16
Dipole, Da:	4.77
IP(EA), eV:	-8.55(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-tert-butyl-1H-benzimidazol-2-yl)-methylamino]-4-methyl-4-(2-pyridin-4-yl-1,3-thiazol-4-yl)pentan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNSC2=CC=CC(=C2)NC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations