Geometry & MOs

Info

ID:

233628

PubChem CID:

91146455

Reduced:

ClNO7C31H38 (1)

Stoich.:

ABC7D31E38 (1)

Weight, g/mol:

583.225326

ΔHf, kcal/mol:

-275.83

Dipole, Da:

3.28

IP(EA), eV:

 -8.91(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-amino-3-[3-methoxy-4-[(1-methylindole-2-carbonyl)amino]phenyl]thieno[3,2-c]pyridin-7-yl]prop-2-enyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)Cl.CC(=O)[C@H](CC1=CC=CC=C1)N

DOS

IR

Vibrations