Geometry & MOs

Info

ID:	297625
PubChem CID:	117624140
Reduced:	SN6O12C51H70 (1)
Stoich.:	AB6C12D51E70 (1)
Weight, g/mol:	308.02006
ΔH_f, kcal/mol:	-422.79
Dipole, Da:	10.89
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7,8-dihydrobenzo[c]phenanthrene

Drug info:

Smile

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5C[C@H]5CCCCCC6=C(C7=C(C(=CC=C7)OC)N=C6O4)OCC8CN(C8)C(=O)OC(C)(C)C)C9CCCCC9

DOS

IR

Vibrations