Geometry & MOs

Info

ID:	418540
PubChem CID:	135105635
Reduced:	SN5O7C34H47 (1)
Stoich.:	AB5C7D34E47 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-269.1
Dipole, Da:	6.6
IP(EA), eV:	-8.98(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(tetrazol-2-yl)-1-adamantyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC=C(S3)C(=O)C

DOS

IR

Vibrations