Geometry & MOs

Info

ID:

191354

PubChem CID:

78136769

Reduced:

OSN6C17H22 (1)

Stoich.:

ABC6D17E22 (1)

Weight, g/mol:

514.337987

ΔHf, kcal/mol:

90.45

Dipole, Da:

6.55

IP(EA), eV:

 -8.84(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[17-[N-(diaminomethylideneamino)-C-(hydroxymethyl)carbonimidoyl]-11,17-dihydroxy-8,9,10,13,14-pentamethyl-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-3-ylidene]amino]guanidine

Drug info:

PubChemData

Smile

CC(C)CC1CC(NN1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4

DOS

IR

Vibrations