Geometry & MOs

Info

ID:	415353
PubChem CID:	135088347
Reduced:	SO6N7C35H49 (1)
Stoich.:	AB6C7D35E49 (1)
Weight, g/mol:	364.191756
ΔH_f, kcal/mol:	-178.22
Dipole, Da:	5.15
IP(EA), eV:	-9.42(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)CC4CCCC4)C)C)C(C)C

DOS

IR

Vibrations