Geometry & MOs

Info

ID:	394094
PubChem CID:	135022316
Reduced:	N2O3C18H28 (1)
Stoich.:	A2B3C18D28 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	5.35
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,5R)-3-hydroxy-5-(phenylmethoxycarbonylamino)azepane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H](C[C@H](C1)O)NCC2=CC=CC=C2

DOS

IR

Vibrations