Geometry & MOs

Info

ID:	242908
PubChem CID:	99214109
Reduced:	SN3O7C23H25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	463.229348
ΔH_f, kcal/mol:	-118.43
Dipole, Da:	7.89
IP(EA), eV:	-8.22(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]butan-2-yl]-2-naphthalen-2-ylacetamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H](C)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC3=CSC=N3)OC)OC

DOS

IR

Vibrations