Geometry & MOs

Info

ID:	44043
PubChem CID:	10500605
Reduced:	O4C25H26 (1)
Stoich.:	A4B25C26 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-83.55
Dipole, Da:	4.52
IP(EA), eV:	-9.31(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoazepan-1-yl]propanoate

Drug info:

PubChemData

Smile

CCO[C@H]1C[C@@H]2[C@]1(C(=O)[C@@]3([C@H](C2=O)C3(C4=CC=CC=C4)C5=CC=CC=C5)C)OC

DOS

IR

Vibrations