Geometry & MOs

Info

ID:	188982
PubChem CID:	77796784
Reduced:	O5N9C23H35 (1)
Stoich.:	A5B9C23D35 (1)
Weight, g/mol:	496.203193
ΔH_f, kcal/mol:	-168.46
Dipole, Da:	6.7
IP(EA), eV:	-9.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-[benzylsulfonyl(methyl)amino]-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-11-yl] acetate

Drug info:

PubChemData

Smile

C=CCNC(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations