Geometry & MOs

Info

ID:	446661
PubChem CID:	135276739
Reduced:	N5O11C22H43 (1)
Stoich.:	A5B11C22D43 (1)
Weight, g/mol:	490.240248
ΔH_f, kcal/mol:	-501.59
Dipole, Da:	4.99
IP(EA), eV:	-9.41(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CNC1C(OC(C(C1O)O)OC2C(C(C3[C@@H](O2)CC(C(O3)OC4C(CC(C(C4O)O)N)N)N)O)NC)CO

DOS

IR

Vibrations