Geometry & MOs

Info

ID:	135696
PubChem CID:	51918141
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	444.262422
ΔH_f, kcal/mol:	-172.42
Dipole, Da:	3.55
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)[C@@H](C)OC(=O)[C@H]2CCCC[C@@H]2C(=O)N3CCC4=CC=CC=C43)C

DOS

IR

Vibrations