Geometry & MOs

Info

ID:	423160
PubChem CID:	135119034
Reduced:	SN6O7C38H50 (1)
Stoich.:	AB6C7D38E50 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-219.19
Dipole, Da:	4.61
IP(EA), eV:	-8.86(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-imidazol-1-ylphenyl)-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CCC(=O)N[C@H]2CCCNC(=O)COC3=C(C=CC(=C3)CCCNC(=O)[C@H](NC(=O)[C@@H](NC2=O)CC4=CC=CC=C4)C(C)C)OC

DOS

IR

Vibrations