Geometry & MOs

Info

ID:

180319

PubChem CID:

76615448

Reduced:

BN6O6C29H45 (1)

Stoich.:

AB6C6D29E45 (1)

Weight, g/mol:

626.359928

ΔHf, kcal/mol:

-243.22

Dipole, Da:

1.91

IP(EA), eV:

 -9.33(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[amino(nitramido)methylidene]amino]-2-[3-(2-methoxyphenyl)prop-2-enoylamino]-N-[3-methyl-1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)butyl]pentanamide

Drug info:

PubChemData

Smile

B1(OC2CC3CC(C3(C)C)C2(O1)C)C(CC(C)C)NC(=O)C(CCCN=C(N)N[N+](=O)[O-])NC(=O)C4=CC=CC=C4C

DOS

IR

Vibrations