Geometry & MOs

Info

ID:	342937
PubChem CID:	127266100
Reduced:	N2O6C15H28 (1)
Stoich.:	A2B6C15D28 (1)
Weight, g/mol:	330.179087
ΔH_f, kcal/mol:	-305.67
Dipole, Da:	4.98
IP(EA), eV:	-9.67(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1,4-oxazepan-4-yl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations