Geometry & MOs

Info

ID:	80739
PubChem CID:	49836629
Reduced:	N3O4C12H19 (1)
Stoich.:	A3B4C12D19 (1)
Weight, g/mol:	592.162581
ΔH_f, kcal/mol:	-139.18
Dipole, Da:	6.53
IP(EA), eV:	-8.76(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(1S)-5-(carbamoylamino)oxy-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)CC1=CC(=O)N(N1)CCN2CCOCC2

DOS

IR

Vibrations