Geometry & MOs

Info

ID:	420550
PubChem CID:	135113786
Reduced:	N6O8C33H42 (1)
Stoich.:	A6B8C33D42 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-301.03
Dipole, Da:	8.23
IP(EA), eV:	-9.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3H-benzimidazol-5-ylsulfonyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N1)C(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)C)CC4=CC=CC=C4

DOS

IR

Vibrations