Geometry & MOs

Info

ID:	394998
PubChem CID:	135024378
Reduced:	O3N7C17H37 (1)
Stoich.:	A3B7C17D37 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-153.83
Dipole, Da:	4.61
IP(EA), eV:	-8.94(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5Z,8R)-2-ethyl-3-phenylmethoxy-3,4,7,8-tetrahydro-2H-oxocin-8-yl]methanol

Drug info:

PubChemData

Smile

CNCCC[C@@H](C(=O)NCC(C(=O)N)NC(=O)[C@H](CCCNC)NC)NC

DOS

IR

Vibrations